2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide

C10H10Br3NO2 — CID 117066138

IUPAC2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
SMILESO=C(Cc1ccccc1)NC(O)C(Br)(Br)Br
InChIInChI=1S/C10H10Br3NO2/c11-10(12,13)9(16)14-8(15)6-7-4-2-1-3-5-7/h1-5,9,16H,6H2,(H,14,15)
InChIKeyMUZRLAFTECXJSG-UHFFFAOYSA-N
MW415.91 g/mol
LogP2.50
Rot. Bonds3

About 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide

2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide (PubChem CID 117066138) has the molecular formula C10H10Br3NO2 and a molecular weight of 415.91 g/mol. Its IUPAC name is 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
PubChem CID117066138
Molecular FormulaC10H10Br3NO2
Molecular Weight415.91 g/mol
Exact Mass412.83
IUPAC Name2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
SMILESO=C(Cc1ccccc1)NC(O)C(Br)(Br)Br
InChIInChI=1S/C10H10Br3NO2/c11-10(12,13)9(16)14-8(15)6-7-4-2-1-3-5-7/h1-5,9,16H,6H2,(H,14,15)
InChIKeyMUZRLAFTECXJSG-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
2-[(2-phenylacetyl)amino]propanediamide
CID 122164047
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
4-bromo-2-[(2-phenylacetyl)amino]butanoic acid
CID 141320981
(2S)-3-hydroxy-3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
CID 54231221
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
2-phenyl-2-[(2-phenylacetyl)amino]ethanethioic S-acid
CID 54430659
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide?
The IUPAC name of 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide (CID 117066138) is 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide?
The canonical SMILES for 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide is O=C(Cc1ccccc1)NC(O)C(Br)(Br)Br.
What is the InChIKey of 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide?
The InChIKey is MUZRLAFTECXJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br3NO2/c11-10(12,13)9(16)14-8(15)6-7-4-2-1-3-5-7/h1-5,9,16H,6H2,(H,14,15).
What are the key properties of 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide?
2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide has a molecular weight of 415.91 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide is sourced from PubChem (CID 117066138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).